N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H33N3O4/c1-18(2)24(27-25(30)21-6-4-5-19(3)15-21)26(31)29-11-9-28(10-12-29)17-20-7-8-22-23(16-20)33-14-13-32-22/h4-8,15-16,18,24H,9-14,17H2,1-3H3,(H,27,30)/t24-/m0/s1